(10S,14S)-10,14-dimethyloctadec-1-ene

C20H40 — CID 10802739

IUPAC(10S,14S)-10,14-dimethyloctadec-1-ene
SMILESC=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC
InChIInChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,6-18H2,2-4H3/t19-,20-/m0/s1
InChIKeyHNNJJUHEQQKTEO-PMACEKPBSA-N
MW280.54 g/mol
LogP7.54
Rot. Bonds15

About (10S,14S)-10,14-dimethyloctadec-1-ene

(10S,14S)-10,14-dimethyloctadec-1-ene (PubChem CID 10802739) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is (10S,14S)-10,14-dimethyloctadec-1-ene.

Molecular Properties

Compound Name(10S,14S)-10,14-dimethyloctadec-1-ene
PubChem CID10802739
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name(10S,14S)-10,14-dimethyloctadec-1-ene
SMILESC=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC
InChIInChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,6-18H2,2-4H3/t19-,20-/m0/s1
InChIKeyHNNJJUHEQQKTEO-PMACEKPBSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Neophytadiene
CID 10446
3,7-Dimethyloct-1-ene
CID 21085
10-Methyl-1-undecene
CID 519941
1-Decene, dimer
CID 22833390
Vinylcyclooctane
CID 93331
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
4,6,8-Trimethyl-1-nonene
CID 41077
8-Methyl-1-undecene
CID 522552
7-Methyl-1-undecene
CID 522554
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-10,14-dimethyloctadec-1-ene?
The IUPAC name of (10S,14S)-10,14-dimethyloctadec-1-ene (CID 10802739) is (10S,14S)-10,14-dimethyloctadec-1-ene.
What is the SMILES notation for (10S,14S)-10,14-dimethyloctadec-1-ene?
The canonical SMILES for (10S,14S)-10,14-dimethyloctadec-1-ene is C=CCCCCCCC[C@H](C)CCC[C@@H](C)CCCC.
What is the InChIKey of (10S,14S)-10,14-dimethyloctadec-1-ene?
The InChIKey is HNNJJUHEQQKTEO-PMACEKPBSA-N. The full InChI is InChI=1S/C20H40/c1-5-7-9-10-11-12-13-16-20(4)18-14-17-19(3)15-8-6-2/h5,19-20H,1,6-18H2,2-4H3/t19-,20-/m0/s1.
What are the key properties of (10S,14S)-10,14-dimethyloctadec-1-ene?
(10S,14S)-10,14-dimethyloctadec-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.54, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-10,14-dimethyloctadec-1-ene is sourced from PubChem (CID 10802739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).